7BHW
 
 | | Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | | 分子名称: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
|
|
7BHR
 | | Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | | 分子名称: | 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
|
|
7BHV
 | | Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | | 分子名称: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
|
|
7BHT
 | | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | | 分子名称: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.052 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
|
|
7BHX
 | | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | | 分子名称: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
|
|
5MOY
 | |
7PQT
 | | Apo human Kv3.1 cryo-EM structure | | 分子名称: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
|
|
7PQU
 | | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | | 分子名称: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
|
|
5QT1
 | | PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOMB000017a | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, ... | | 著者 | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | | 登録日 | 2019-06-25 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
5QT2
 | | PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOPL000074a | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, DIMETHYL SULFOXIDE, ... | | 著者 | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | | 登録日 | 2019-06-25 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
8RCL
 | |
5WBN
 | | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | | 著者 | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | | 登録日 | 2017-06-29 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
|
|
5WPB
 | | Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | 著者 | Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-04 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
|
|
5M3L
 | | Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris hemoglobin | | 分子名称: | Extracellular globin-2, Extracellular globin-3, Extracellular globin-4, ... | | 著者 | Afanasyev, P, Linnemayr-Seer, C, Ravelli, R.B.G, Matadeen, R, De Carlo, S, Alewijnse, B, Portugal, R.V, Pannu, N.S, Schatz, M, van Heel, M. | | 登録日 | 2016-10-15 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.
IUCrJ, 4, 2017
|
|
8RCT
 | |
4XBA
 | | Hnt3 | | 分子名称: | Aprataxin-like protein, GLYCEROL, GUANOSINE, ... | | 著者 | Jacewicz, A, Chauleau, M, Shuman, S. | | 登録日 | 2014-12-16 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
|
|
8RCS
 | |
8RCM
 | |
6GXZ
 | | Crystal structure of the human RPAP3(TPR2)-PIH1D1(CS) complex | | 分子名称: | CALCIUM ION, PIH1 domain-containing protein 1, RNA polymerase II-associated protein 3 | | 著者 | Henri, J, Quinternet, M, Manival, X, Chagot, M.-E, Charpentier, B, Meyer, P. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.965 Å) | | 主引用文献 | Deep Structural Analysis of RPAP3 and PIH1D1, Two Components of the HSP90 Co-chaperone R2TP Complex.
Structure, 26, 2018
|
|
8R3V
 | |
5UF6
 | | The 2.8 A Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparanoid Pentasaccharide | | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, capsid protein VP1 | | 著者 | Xie, Q, Spear, J.M, Noble, A.J, Sousa, D.R, Meyer, N.L, Davulcu, O, Zhang, F, Linhardt, R.J, Stagg, S.M, Chapman, M. | | 登録日 | 2017-01-03 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The 2.8 angstrom Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparinoid Pentasaccharide.
Mol Ther Methods Clin Dev, 5, 2017
|
|
5N12
 | | Crystal structure of TCE treated rPPEP-1 | | 分子名称: | 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ... | | 著者 | Pichlo, C, Schacherl, M, Baumann, U. | | 登録日 | 2017-02-04 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
8RBS
 | | Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map. | | 分子名称: | Major capsid protein, Penton protein | | 著者 | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | | 登録日 | 2023-12-04 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (18 Å) | | 主引用文献 | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
|
|
8RBT
 | | Emiliania huxleyi virus 201 (EhV-201) capsid proteins predicted by AlphaFold2 fitted into a cryo-EM density map of the EhV-201 virion capsid. | | 分子名称: | Major capsid protein, Penton protein | | 著者 | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | | 登録日 | 2023-12-04 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (12 Å) | | 主引用文献 | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
|
|
5V1G
 | | DNA polymerase beta binary complex with 8-oxoG at the primer terminus | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | | 登録日 | 2017-03-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
|
|
